SCHEMBL270836

SCHEMBL270836

c1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
CFTR P13569 1/20 0.40
GOPC Q9HD26 1/20 0.40
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DPP4 P27487 2/20 0.35
F2 P00734 1/20 0.35
TSHR P16473 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5865581 0.95 KMT2A (0.47) SLC6A2SLC6A4SLC6A3KMT2AATM
SCHEMBL16270678 0.92 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KMT2AATM
SCHEMBL24671964 0.92 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KMT2AATM
SCHEMBL14322127 0.90 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3KMT2AATM
SCHEMBL17904266 0.87 CHRNB2 (0.39) SLC6A2SLC6A4SLC6A3KMT2AATM
SCHEMBL10526789 0.86 CHRNB2 (0.42) SLC6A2SLC6A4SLC6A3KMT2AATM
SCHEMBL19633944 0.84 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3KMT2AATM
SCHEMBL1345605 0.82 DAO (0.35) HDAC8HDAC6
SCHEMBL19633885 0.80 ESR1 (0.38) SLC6A2SLC6A3KMT2AHDAC8HDAC6
SCHEMBL440120 0.80 HTR2A (0.35) KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920751-B Three-center metal complex and application thereof 齐齐哈尔大学 2022-12-13 CN claimed
CN-103003282-B A kind of prepare new derivatives of porphyrin method and purposes as PDT reagent and fluorescent probe COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-01-20 CN claimed
CN-103003282-A A process for the preparation of novel porphyrin derivatives and their use as PDT agents and fluorescence probes COUNCIL SCIENT IND RES 2013-03-27 CN claimed
CN-118878853-A Synthesis method and application of porphyrin metal organic framework-based nanomaterial catalyst 安阳工学院 2024-11-01 CN disclosed
US-20230287008-A1 COMPOUND AND OPTICAL FILM COMPRISING SAME LG CHEM, LTD. (KR) 2023-09-14 US disclosed
US-20230051807-A1 PORPHYRIN PHOTOSENSITIZER AND COBALOXIME COCATALYST AND METHODS OF USE THEREOF THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2023-02-16 US disclosed
US-20220403136-A1 OPTICAL FILM FORMING COMPOSITION, OPTICAL FILM, AND DISPLAY DEVICE INCLUDING SAME LG CHEM, LTD. (KR) 2022-12-22 US disclosed
CN-114920751-B Three-center metal complex and application thereof 齐齐哈尔大学 2022-12-13 CN disclosed
US-20210088526-A1 FLUORESCENT COMPOUND AND FLUORESCENT LABELED BIOLOGICAL SUBSTANCE USING THE SAME FUJIFILM CORPORATION (JP) 2021-03-25 US disclosed
EP-3612538-B1 QUINONE-METHIDE PRECURSORS WITH BODIPY CHROMOPHORE, METHOD OF PREPARATION, BIOLOGICAL ACTIVITY AND APPLICATION IN FLUORESCENT LABELLING RUDJER BOSKOVIC INST (HR) 2021-01-13 EP disclosed
US-20200197423-A1 Quinone-methide precursors with bodipy chromophore, method of preparation, biological activity and application in fluorescent labelling RUDJER BOSKOVIC INSTITUTE (HR) 2020-06-25 US disclosed
US-7317108-B2 Boron complexation strategy for use in manipulating 1-acyldipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-08 US disclosed
US-7317108-B2 Boron complexation strategy for use in manipulating 1-acyldipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2008-01-08 US disclosed
US-7282582-B2 Boron complexation strategy for use in manipulating 1-acyldipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2007-10-16 US disclosed
US-7282582-B2 Boron complexation strategy for use in manipulating 1-acyldipyrromethanes NORTH CAROLINA STATE UNIVERSITY (US) 2007-10-16 US disclosed
US-20070088158-A1 BORON COMPLEXATION STRATEGY FOR USE IN MANIPULATING 1-ACYLDIPYRROMETHANES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 US disclosed
US-20070088158-A1 BORON COMPLEXATION STRATEGY FOR USE IN MANIPULATING 1-ACYLDIPYRROMETHANES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 US disclosed
WO-2007018807-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2007-02-15 WO disclosed
US-20070027311-A1 Methods and intermediates for the synthesis of porphyrins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US disclosed
US-20070027311-A1 Methods and intermediates for the synthesis of porphyrins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230051807-A1 PORPHYRIN PHOTOSENSITIZER AND COBALOXIME COCATALYST AND METHODS OF USE THEREOF PPOX, HMBS, PNPO SLC6A2 2539/4885SLC6A4 1224/4885SLC6A3 1324/4885
US-20070088158-A1 BORON COMPLEXATION STRATEGY FOR USE IN MANIPULATING 1-ACYLDIPYRROMETHANES DECR2, ANTXR2, CD79B SLC6A2 3440/4885SLC6A4 4073/4885SLC6A3 2300/4885
US-20220403136-A1 OPTICAL FILM FORMING COMPOSITION, OPTICAL FILM, AND DISPLAY DEVICE INCLUDING SAME CDH1, CFL1, ITGA1 SLC6A2 3368/4885SLC6A4 3607/4885SLC6A3 3128/4885
US-20230287008-A1 COMPOUND AND OPTICAL FILM COMPRISING SAME CDH1, OR10J3, CRY1 SLC6A2 3686/4885SLC6A4 3424/4885SLC6A3 3291/4885
US-20070027311-A1 Methods and intermediates for the synthesis of porphyrins PPOX, HMBS, CYC1 SLC6A2 4161/4885SLC6A4 4433/4885SLC6A3 3890/4885
US-20200197423-A1 Quinone-methide precursors with bodipy chromophore, method of preparation, biological activity and application in fluorescent labelling NQO2, NQO1, CYBA SLC6A2 3225/4885SLC6A4 4352/4885SLC6A3 3597/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.