SCHEMBL433146

SCHEMBL433146

c1ccc2cc(COCc3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
CYP2A6 P11509 1/20 0.58
RAB9A P51151 1/20 0.53
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 3/20 0.51
SLC6A3 Q01959 3/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
HTR7 P34969 1/20 0.51
HTR3A P46098 1/20 0.51
HTR4 Q13639 1/20 0.51
ALOX5 P09917 2/20 0.50
TSHR P16473 1/20 0.50
TACR1 P25103 2/20 0.49
KCNH2 Q12809 2/20 0.49
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL7648436 0.94 TSHR (0.62) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
Oxirane SCHEMBL11769488 0.90 ALOX5 (0.49) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL16174483 0.89 CYP1A2 (0.52) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL13977956 0.87 CYP1A2 (0.50) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL19249099 0.87 CYP1A2 (0.50) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL19508917 0.87 CYP1A2 (0.50) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL2108042 0.87 CYP1A2 (0.50) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL19249290 0.87 CYP1A2 (0.50) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL19249093 0.87 CYP1A2 (0.50) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4
SCHEMBL28367677 0.87 RAB9A (0.51) CYP1A2CYP2A6RAB9ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441741-B2 Ring closing synthesis of macrocyclic MCL-1 inhibitor intermediates AMGEN INC. (US) 2025-10-14 US claimed
EP-4577644-A1 BIOCATALYSTS AND METHODS THEREOF Tesaro, Inc. (US) 2025-07-02 EP claimed
EP-4146636-B1 SYNTHESIS OF VINYLIC PROTECTED ALCOHOL INTERMEDIATES AMGEN INC (US) 2025-06-11 EP claimed
CN-119698468-A Biocatalysts and methods thereof 特沙诺有限公司 2025-03-25 CN claimed
CN-119585901-A Pre-lithiated electrode material, method for producing same, secondary battery, and power utilization device 宁德时代新能源科技股份有限公司 2025-03-07 CN claimed
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN claimed
CN-119156438-A Perfume composition for sleep improvement 国际香料和香精公司 2024-12-17 CN claimed
CN-118908912-A Synthesis of vinyl protected alcohol intermediates 安进公司 2024-11-08 CN claimed
CN-118271233-A Nilaparil manufacturing method 特沙诺有限公司 2024-07-02 CN claimed
CN-115485268-B Synthesis of vinyl protected alcohol intermediates 安进公司 2024-06-18 CN claimed
WO-2017211820-A1 METHODS FOR THE PREPARATION OF DEOXYCHOLIC ACID, AND INTERMEDIATES USEFUL IN THE PREPARATION OF DEOXYCHOLIC ACID BIONICE, S.L.U. (ES) 2017-12-14 WO claimed
WO-2017018835-A1 METHOD OF PREPARING TDM-621 DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-02-02 WO claimed
EP-2635547-A1 CHIRAL INTERMEDIATES USEFUL FOR THE PREPARATION OF HYDROXYPHOSPHINE LIGANDS United Phosphorus Limited (IN) 2013-09-11 EP claimed
US-20130217900-A1 CHIRAL INTERMEDIATES USEFUL FOR THE PREPARATION OF HYDROXYPHOSPHINE LIGANDS UNITED PHOSPHORUS LIMITED (IN) 2013-08-22 US claimed
WO-2012131077-A1 SOMATOSTATIN MIMETICS NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) 2012-10-04 WO claimed
WO-2012059807-A1 CHIRAL INTERMEDIATES USEFUL FOR THE PREPARATION OF HYDROXYPHOSPHINE LIGANDS UNITED PHOSPHORUS LIMITED (IN) 2012-05-10 WO claimed
EP-1113105-B1 Human sweat malodor counteractant composition and process for using same INT FLAVORS & FRAGRANCES INC (US) 2006-04-05 EP claimed
EP-0557419-B1 GRANULAR DETERGENT OR BLEACHING COMPOSITIONS CONTAINING AMIDOPEROXYACID BLEACH AND PERFUME PROCTER & GAMBLE (US) 1996-01-17 EP claimed
EP-0404470-B1 Fragrance compositions and their use in detergent products QUEST INT (NL) 1994-04-13 EP claimed
EP-0005618-B1 DEODORANT PRODUCTS, PREPARATION AND USE THEREOF UNILEVER PLC (GB) 1982-06-09 EP claimed

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

For each of this compound's patents that has machine-readable text (2 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-20130217900-A1 CHIRAL INTERMEDIATES USEFUL FOR THE PREPARATION OF HYDROXYPHOSPHINE LIGANDS CYP21A2, HRH3, P4HA1 CYP1A2 323/4885CYP2A6 693/4885RAB9A 4006/4885
US-12441741-B2 Ring closing synthesis of macrocyclic MCL-1 inhibitor intermediates MCL1, BAK1, BCLAF1 CYP1A2 2669/4885CYP2A6 3362/4885RAB9A 3878/4885

“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.