SCHEMBL4374342

SCHEMBL4374342

COc1ccc2[nH]c(C)c(C)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
MAPT P10636 5/20 0.68
KDM4E B2RXH2 4/20 0.68
HSD17B10 Q99714 2/20 0.68
GFER P55789 2/20 0.68
TSHR P16473 1/20 0.68
HTR1D P28221 2/20 0.59
HTR6 P50406 2/20 0.59
MCL1 Q07820 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
HPGD P15428 3/20 0.58
RAB9A P51151 2/20 0.57
ALOX5 P09917 1/20 0.56
AKR1C2 P52895 1/20 0.56
HTR1A P08908 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR1E P28566 1/20 0.56
HTR7 P34969 1/20 0.56

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
SCHEMBL31498186 0.85 KDM4E (0.59) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5196745 0.85 KDM4E (0.59) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL17452876 0.81 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL29391519 0.81 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2597652 0.81 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11488805 0.80 HTR6 (0.58) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11374190 0.79 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11808162 0.79 TUBB4A (0.62) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5838270 0.79 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL14019351 0.79 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AMAPTKDM4E

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
EP-0502733-B1 Air-activatable polymerisable compositions LOCTITE IRELAND LTD (IE) 1997-09-10 EP claimed
EP-0502733-A1 Air-activatable polymerisable compositions LOCTITE (IRELAND) Ltd. (IE) 1992-09-09 EP claimed
EP-3233797-B1 MAP4K4 (HGK) INHIBITORS Sri int inc (US) 2019-05-08 EP disclosed
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-15 US disclosed
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 US disclosed
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 US disclosed
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 US disclosed
EP-3169683-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen Ltd. (AU) 2017-05-24 EP disclosed
WO-2016187667-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2016-12-01 WO disclosed
WO-2016008011-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2016-01-21 WO disclosed
WO-2016008011-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2016-01-21 WO disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 EP disclosed
EP-1154774-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed
US-5683536-A PEROXIDE-FREE AUTOOXIDIZABLE FREE RADICAL CATALYST LOCTITE LTD. (IE) 1997-11-04 US disclosed
EP-0502733-A1 Air-activatable polymerisable compositions LOCTITE (IRELAND) Ltd. (IE) 1992-09-09 EP disclosed
US-4310634-A 1-HYDRAZINO-2-HYDRAZONO ETHANE TEXACO DEVELOPMENT CORP. (US) 1982-01-12 US disclosed
US-4286072-A 1-/DIALKYLHYDRAZONO/-2-HYDROXYETHANES; POLYURETHANE-POLYISOCYANURATE FOAMS TEXACO DEVELOPMENT CORP. (US) 1981-08-25 US disclosed
US-4251637-A TO PREPARE A POLYMER CONTAINING RECURRING ISOCYANURATE AND URETHANE LINKAGES TEXACO DEVELOPMENT CORPORATION (US) 1981-02-17 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 (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-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 ALDH1A1 1080/4885MEN1 3325/4885KMT2A 2215/4885
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 ALDH1A1 1176/4885MEN1 2944/4885KMT2A 1730/4885

“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.