SCHEMBL786692

SCHEMBL786692

O=C(c1ccc2c(c1)OCO2)N1CCC(c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
TSHR P16473 3/20 0.76
HSD17B10 Q99714 2/20 0.65
GFER P55789 1/20 0.65
HPGD P15428 7/20 0.64
SCD5 Q86SK9 1/20 0.64
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.57
HSD11B1 P28845 1/20 0.57
NPC1 O15118 1/20 0.57
TP53 P04637 1/20 0.57
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55

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
SCHEMBL6971489 0.83 ALDH1A1 (0.69) ALDH1A1TSHRHSD17B10GFERHPGD
SCHEMBL108225 0.82 ALDH1A1 (0.90) ALDH1A1TSHRHSD17B10GFERHPGD
SCHEMBL10720211 0.82 CA12 (0.76) ALDH1A1SMN1; SMN2HSD11B1NPC1KDM4E
SCHEMBL3456555 0.81 HSD17B10 (0.61) ALDH1A1TSHRHSD17B10GFERHPGD
SCHEMBL7466468 0.81 HPGD (0.71) ALDH1A1TSHRHSD17B10GFERHPGD
SCHEMBL10720101 0.81 PARP14 (0.65) ALDH1A1TSHRSCD5HSD11B1NPC1
SCHEMBL5970063 0.79 HPGD (1.00) ALDH1A1TSHRHSD17B10GFERHPGD
SCHEMBL4206605 0.79 CA12 (0.71) ALDH1A1HPGDHSD11B1NPC1KDM4E
SCHEMBL21523850 0.79 SCD5 (1.00) ALDH1A1TSHRHSD17B10HPGDSCD5
SCHEMBL27297526 0.79 NPC1 (0.70) ALDH1A1TSHRHSD17B10HPGDHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 US disclosed
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 US disclosed
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2023-08-24 US disclosed
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2023-08-24 US disclosed
US-11648236-B2 Methods of treating coronavirus VERU INC. (US) 2023-05-16 US disclosed
US-11648236-B2 Methods of treating coronavirus VERU INC. (US) 2023-05-16 US disclosed
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2021-10-07 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-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 US disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 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 (11 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-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885TSHR 4440/4885HSD17B10 1852/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885TSHR 4138/4885HSD17B10 148/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885TSHR 4440/4885HSD17B10 1852/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB ALDH1A1 2765/4885TSHR 4621/4885HSD17B10 3277/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885TSHR 4138/4885HSD17B10 148/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 ALDH1A1 209/4885TSHR 4440/4885HSD17B10 1852/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885TSHR 4440/4885HSD17B10 1852/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB ALDH1A1 3603/4885TSHR 4595/4885HSD17B10 1364/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885TSHR 4440/4885HSD17B10 1852/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB ALDH1A1 3603/4885TSHR 4595/4885HSD17B10 1364/4885
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB ALDH1A1 3603/4885TSHR 4595/4885HSD17B10 1364/4885

“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.