SCHEMBL18601701

SCHEMBL18601701

COc1cc(C(=O)c2csc(C3CCCCCCC3)n2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CREBBP Q92793 1/20 0.47
HDAC3 O15379 8/20 0.46
HDAC1 Q13547 8/20 0.46
HDAC7 Q8WUI4 8/20 0.46
HDAC8 Q9BY41 8/20 0.46
HDAC6 Q9UBN7 8/20 0.46
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46

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
SCHEMBL19221020 1.00 EGFR (0.47) EGFRTHRBHPGDALDH1A1TSHR
SCHEMBL12245698 1.00 EGFR (0.47) EGFRTHRBHPGDALDH1A1TSHR
SCHEMBL23734583 1.00 EGFR (0.47) EGFRTHRBHPGDALDH1A1TSHR
SCHEMBL18601702 1.00 EGFR (0.47) EGFRTHRBHPGDALDH1A1TSHR
SCHEMBL786898 0.77 EGFR (0.55) EGFRHPGDTSHRHDAC3HDAC1
SCHEMBL24222511 0.76 TUBB1 (0.48) EGFRTHRBHTTTUBB4ATUBB
SCHEMBL24222512 0.76 TUBB1 (0.48) EGFRTHRBHTTTUBB4ATUBB
SCHEMBL19221076 0.76 TUBB1 (0.48) EGFRTHRBHTTTUBB4ATUBB
SCHEMBL23734271 0.76 TUBB1 (0.48) EGFRTHRBHTTTUBB4ATUBB
SCHEMBL19221075 0.76 TUBB1 (0.48) EGFRTHRBHTTTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US disclosed
EP-2959900-B1 COMPOUND FOR TREATMENT OF CANCER UNIV TENNESSEE RES FOUND (US) 2017-03-08 EP 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 (7 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-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 EGFR 520/4885THRB 2291/4885HPGD 661/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 EGFR 520/4885THRB 2291/4885HPGD 661/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 EGFR 520/4885THRB 2291/4885HPGD 661/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 EGFR 964/4885THRB 2822/4885HPGD 522/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885THRB 2822/4885HPGD 522/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885THRB 2822/4885HPGD 522/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 EGFR 520/4885THRB 2291/4885HPGD 661/4885

“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.