SCHEMBL1532890

SCHEMBL1532890

CCCCCC1CCC(C=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
PKM P14618 1/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
EPHX1 P07099 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
LSS P48449 2/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL9157630 1.00 CYP1A2 (0.45) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL9121859 0.98 CYP1A2 (0.43) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL9646856 0.98 CYP1A2 (0.43) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL10986409 0.98 CYP1A2 (0.43) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL10986413 0.98 CYP1A2 (0.43) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL11279649 0.98 CYP1A2 (0.43) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL27917417 0.98 CYP1A2 (0.43) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL27917441 0.98 CYP1A2 (0.43) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL27914394 0.98 CYP1A2 (0.43) CYP1A2PKMHTTMEN1KMT2A
SCHEMBL19077941 0.96 CYP1A2 (0.42) CYP1A2PKMHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012175642-A1 PEPTIDE PRODRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-12-27 WO claimed
CN-116615417-B 1, 4-Diheterocyclic group substituted aromatic ring or aromatic heterocyclic compound and application thereof 广州必贝特医药股份有限公司 2024-05-14 CN disclosed
US-11822247-B2 Material for forming organic film, method for forming organic film, patterning process, and compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-21 US disclosed
EP-2840437-B1 LIQUID CRYSTAL DISPLAY DEVICE DAINIPPON INK & CHEMICALS (JP) 2017-07-26 EP disclosed
EP-2684935-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DAINIPPON INK & CHEMICALS (JP) 2016-10-05 EP disclosed
CN-103265417-B Method for synthesizing 4-[2-(trans-4-alkyl cyclohexyl )ethyl]cyclohexanone XI AN CAIJING OPTO ELECTRICAL SCIENCE & TECHNOLOGY CO LTD 2015-05-13 CN disclosed
CN-103254902-B Fluorine-containing liquid crystal compound containing ethane bridged bond and -CF2O- bridged bond XIAN MODERN CHEMISTRY RES INST 2015-02-11 CN disclosed
EP-2646525-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2013-10-09 EP disclosed
WO-2012175642-A1 PEPTIDE PRODRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-12-27 WO disclosed
WO-2012072201-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-06-07 WO disclosed
US-4943384-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-07-24 US disclosed
US-4726911-A Heterocyclic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-02-23 US disclosed
US-4704005-A LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1987-11-03 US disclosed
US-4630896-A Benzonitriles HOFFMANN-LA ROCHE INC. (US) 1986-12-23 US disclosed
US-4613208-A ELECTROOPTICS; ULTRAVIOLET RADIATION STABILITY; QUICK RESPONSE HOFFMANN-LA ROCHE INC. (US) 1986-09-23 US disclosed
US-4595521-A In liquid crystalline carrier HOFFMANN-LA ROCHE INC. (US) 1986-06-17 US disclosed
EP-0182054-A2 Heterocyclic compounds MERCK PATENT GmbH (DE) 1986-05-28 EP disclosed
US-4583826-A Phenylethanes HOFFMANN-LA ROCHE INC. (US) 1986-04-22 US disclosed
US-4389329-A Meterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 1983-06-21 US disclosed
US-4273929-A Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 1981-06-16 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 (1 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-11822247-B2 Material for forming organic film, method for forming organic film, patterning process, and compound EPCAM, CDH1, DNMT3L CYP1A2 1332/4885PKM 3095/4885HTT 4869/4885

“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.