SCHEMBL2290188

SCHEMBL2290188

COc1cc(C(C)C)ccc1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
TYR P14679 3/20 0.58
ERN1 O75460 3/20 0.55
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
HDAC4 P56524 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
PRKDC P78527 1/20 0.43
PTPN1 P18031 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41

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
SCHEMBL7448262 0.88 TYR (0.53) ALDH1A1TYRERN1TSHRKDM4E
SCHEMBL985519 0.85 ERN1 (0.55) ALDH1A1TYRERN1TSHRKDM4E
SCHEMBL31063006 0.85 ERN1 (0.55) ALDH1A1TYRERN1TSHRKDM4E
SCHEMBL2636573 0.84 ALDH1A1 (0.58) ALDH1A1TYRERN1TSHRKDM4E
SCHEMBL7237898 0.82 ERN1 (0.50) ALDH1A1TYRERN1TSHRKDM4E
SCHEMBL24680922 0.81 HDAC4 (0.43) ALDH1A1TYRERN1TDP1L3MBTL1
SCHEMBL2467985 0.81 HDAC4 (0.43) ALDH1A1TYRERN1TSHRL3MBTL1
SCHEMBL4182784 0.80 ALDH1A1 (0.53) ALDH1A1TYRERN1TSHRKDM4E
SCHEMBL27590397 0.78 TYR (0.50) ALDH1A1TYRERN1L3MBTL1PTPN1
Isopropylbenzene SCHEMBL27542447 0.78 ALDH1A1 (0.47) ALDH1A1TYRERN1TSHRKDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2023-07-25 US disclosed
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-03-09 US disclosed
EP-3860984-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
CN-112912371-A Flavone derivatives for treating and preventing hepatitis B virus diseases 豪夫迈·罗氏有限公司 2021-06-04 CN disclosed
WO-2020070088-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-09 WO disclosed
EP-2534281-B1 METHOD FOR PRODUCING 4-ISOPROPYLCYCLOHEXYLMETHANOL BASF SE (DE) 2019-01-09 EP disclosed
US-8889920-B2 Process for preparing 4-isopropylcyclohexylmethanol BASF SE (DE) 2014-11-18 US disclosed
EP-2534281-A2 METHOD FOR PRODUCING 4-ISOPROPYLCYCLOHEXYLMETHANOL BASF SE (DE) 2012-12-19 EP disclosed
US-20110207968-A1 PROCESS FOR PREPARING 4-ISOPROPYLCYCLOHEXYLMETHANOL BASF SE (DE) 2011-08-25 US disclosed
WO-2011098432-A2 METHOD FOR PRODUCING 4-ISOPROPYLCYCLOHEXYLMETHANOL BASF SE (DE) 2011-08-18 WO disclosed
US-7772285-B2 Benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed
CN-101054345-B Novel bensophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD 2010-06-02 CN disclosed
CN-1602291-B Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD 2010-05-12 CN disclosed
CN-101402562-A Novel benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2009-04-08 CN disclosed
CN-101054345-A Novel bensophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2007-10-17 CN disclosed
CN-1602291-A Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-03-30 CN 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 (3 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-20110207968-A1 PROCESS FOR PREPARING 4-ISOPROPYLCYCLOHEXYLMETHANOL CYP2E1, CYP3A4, DHPS ALDH1A1 147/4885TYR 1154/4885ERN1 3156/4885
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease CCNE2, CCNE1, CCNT1 ALDH1A1 455/4885TYR 2287/4885ERN1 1445/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 ALDH1A1 455/4885TYR 2287/4885ERN1 1445/4885

“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.