SCHEMBL3897447

SCHEMBL3897447

CC(CO)CCCC(C)(C)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.36
KCNH3 Q9ULD8 1/20 0.33
PTPN1 P18031 2/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
PTPN2 P17706 1/20 0.30
CDC25B P30305 1/20 0.30

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
SCHEMBL13839555 1.00 TSHR (0.46) TSHRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL11651471 0.95 TSHR (0.42) TSHRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL29011335 0.93 TSHR (0.41) TSHRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL6231047 0.87 TSHR (0.48) TSHRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL18125121 0.87 TSHR (0.48) TSHRALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16357610 0.87 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACYP3A4ALOX15
SCHEMBL362466 0.83 ALOX15 (0.42) ALDH1A1MEN1KMT2ACYP3A4ALOX15
SCHEMBL28925058 0.82 MEN1 (0.44) TSHRMEN1KMT2ACYP3A4ALOX15
SCHEMBL8413866 0.82 MEN1 (0.33) TSHRMEN1KMT2ACYP3A4ALOX15
Alcohol SCHEMBL5316638 0.81 ALDH1A1 (0.39) TSHRALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283553-A1 POLYETHERS, POLYAMINES, POLYTHIOETHERS, AND METHODS FOR MAKING SAME P2 SCIENCE, INC. 2017-10-05 US disclosed
US-20170283553-A1 POLYETHERS, POLYAMINES, POLYTHIOETHERS, AND METHODS FOR MAKING SAME P2 SCIENCE, INC. 2017-10-05 US disclosed
EP-1931324-B1 DES-C,D ANALOGS OF 1ALPHA,25-DIHYDROXY-19-NORVITAMIN D3 WISCONSIN ALUMNI RES FOUND (US) 2015-01-28 EP disclosed
US-7534777-B2 Des-C,D analogs of 1α,25-dihydroxy-19-norvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-19 US disclosed
EP-1931324-A2 DES-C,D ANALOGS OF 1ALPHA,25-DIHYDROXY-19-NORVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-06-18 EP disclosed
US-20070112077-A1 Des-C,D analogs of 1alpha,25-dihydroxy-19-norvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-05-17 US disclosed
WO-2007028000-A2 DES-C,D ANALOGS OF 1ALPHA,25-DIHYDROXY-19-NORVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-03-08 WO disclosed
US-4311617-A Perfumery compositions BUSH BOAKE ALLEN LIMITED (GB) 1982-01-19 US disclosed
US-4287133-A AN THE INTERMEDIATE SCHIFF BASE INVOLVED IN PRODUCTION INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-09-01 US disclosed
US-4281177-A FLAVORING OR PERFUMES FOR COSMETICS, DETERGENTS, TOBACCO INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-07-28 US disclosed
US-4242281-A SULFITE ADDITION OF 2,6-DIMETHYL-5-HEPTENAL INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-12-30 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-20170283553-A1 POLYETHERS, POLYAMINES, POLYTHIOETHERS, AND METHODS FOR MAKING SAME PARG, PUF60, PARN TSHR 4232/4885ALDH1A1 3460/4885MEN1 484/4885
US-20070112077-A1 Des-C,D analogs of 1alpha,25-dihydroxy-19-norvitamin D3 CYP24A1, VDR, CYP2R1 TSHR 915/4885ALDH1A1 2059/4885MEN1 279/4885

“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.