SCHEMBL786708

SCHEMBL786708

Fc1ccc(-c2nccc3ccc(-c4cc5ccccc5[nH]4)cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 4/20 0.50
BCHE P06276 1/20 0.49
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
EGFR P00533 3/20 0.44
MAPK14 Q16539 3/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
CYP19A1 P11511 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL786528 0.90 ITK (0.53) ITKBCHENPC1RAB9AEGFR
SCHEMBL786712 0.88 NPC1 (0.50) ITKNPC1RAB9ACYP19A1KDM4E
SCHEMBL786559 0.82 HTR2B (0.44) ITKNPC1RAB9ACYP19A1KDM4E
SCHEMBL804651 0.79 TUBB4A (0.47) NPC1RAB9AMAPK14KDM4EMAPT
SCHEMBL724718 0.78 PDE3B (0.46) BCHENPC1RAB9AMAPK14PDE3B
SCHEMBL29496847 0.78 RAB9A (0.71) ITKNPC1RAB9ACYP19A1KDM4E
SCHEMBL2061664 0.78 RAB9A (0.71) ITKNPC1RAB9ACYP19A1KDM4E
SCHEMBL3391756 0.76 BCHE (0.54) BCHENPC1RAB9AMAPK14PDE3B
SCHEMBL4198127 0.75 ITK (0.59) ITKBCHENPC1RAB9ACYP19A1
SCHEMBL11976485 0.75 BCHE (0.56) BCHENPC1RAB9AMAPK14PDE3B

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 30 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
WO-2023196632-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 WO 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
WO-2021203100-A9 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2021-12-23 WO disclosed
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2021-10-07 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
WO-2012027481-A9 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2013-10-10 WO 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
WO-2012027481-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2012-03-01 WO 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
WO-2011109059-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2011-09-09 WO 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 (8 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 ITK 3347/4885BCHE 3341/4885NPC1 1453/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ITK 3347/4885BCHE 3341/4885NPC1 1453/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB ITK 3525/4885BCHE 1564/4885NPC1 2306/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ITK 3347/4885BCHE 3341/4885NPC1 1453/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB ITK 4456/4885BCHE 248/4885NPC1 817/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ITK 3347/4885BCHE 3341/4885NPC1 1453/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB ITK 4456/4885BCHE 248/4885NPC1 817/4885
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB ITK 4456/4885BCHE 248/4885NPC1 817/4885

“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.