SCHEMBL444659

SCHEMBL444659

Cc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 14/20 0.76
RARB P10826 13/20 0.76
RARA P10276 12/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
KDM4E B2RXH2 1/20 0.76
ALDH1A1 P00352 1/20 0.76
TP53 P04637 1/20 0.76
CYP3A4 P08684 1/20 0.76
MAPT P10636 1/20 0.76
HPGD P15428 1/20 0.76
ALOX15 P16050 1/20 0.76
ALOX12 P18054 1/20 0.76
MAPK1 P28482 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
HSD17B10 Q99714 1/20 0.76
NR1I2 O75469 1/20 0.73
LMNA P02545 1/20 0.73
PGR P06401 1/20 0.73
HSPD1 P10809 1/20 0.73

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
SCHEMBL14960845 0.87 RARB (0.62) RARGRARBRARAMEN1KMT2A
SCHEMBL28598962 0.87 RARG (0.54) RARGRARBRARAMEN1KMT2A
SCHEMBL25870579 0.86 MEN1 (0.76) RARGRARBRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29727107 0.86 RARG (1.00) RARGRARBRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29357074 0.86 RARG (1.00) RARGRARBRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29357288 0.86 RARG (1.00) RARGRARBRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL174205 0.86 RARG (1.00) RARGRARBRARAMEN1KMT2A
SCHEMBL8766318 0.86 RARG (0.77) RARGRARBRARAMEN1KMT2A
SCHEMBL6535711 0.85 RARG (0.83) RARGRARBRARAMEN1KMT2A
SCHEMBL13285215 0.85 RARG (0.76) RARGRARBRARAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11707442-B2 Antibacterial and antifungal compounds THE GENERAL HOSPITAL CORPORATION (US) 2023-07-25 US disclosed
US-8907109-B2 Methods and systems for treating cell proliferation disorders with psoralen derivatives IMMUNOLIGHT, LLC (US) 2014-12-09 US disclosed
US-8791275-B2 Methods and systems for treating cell proliferation disorders with psoralen derivatives DUKE UNIVERSITY (US) 2014-07-29 US disclosed
US-20130129757-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2013-05-23 US disclosed
US-20130131429-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES lmmunolight, LLC (US) 2013-05-23 US disclosed
US-8278332-B2 Photostabilization of retinoids with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-10-02 US disclosed
US-8268294-B2 Photostabilization of retinoids with alkoxycrylene compounds HALLSTAR INNOVATIONS CORP. (US) 2012-09-18 US disclosed
US-20120065232-A1 PHOTOSTABILIZATION OF RETINOIDS WITH ALKOXYCRYLENE COMPOUNDS HALLSTAR INNOVATIONS CORP. (US) 2012-03-15 US disclosed
US-20110142771-A1 Photostabilization of Retinoids with Alkoxycrylene Compounds HALLSTAR INNOVATIONS CORP. (US) 2011-06-16 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 (5 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-20110142771-A1 Photostabilization of Retinoids with Alkoxycrylene Compounds RBP4, RARA, RBP1 RARG 6/4885RARB 4/4885RARA 2/4885
US-11707442-B2 Antibacterial and antifungal compounds RXRA, VDR, RXRB RARG 14/4885RARB 9/4885RARA 8/4885
US-20130131429-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES CDK20, NFATC1, CDK10 RARG 765/4885RARB 899/4885RARA 440/4885
US-20130129757-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES CDK20, NFATC1, CDK10 RARG 765/4885RARB 899/4885RARA 440/4885
US-20120065232-A1 PHOTOSTABILIZATION OF RETINOIDS WITH ALKOXYCRYLENE COMPOUNDS RBP4, RARA, RBP1 RARG 6/4885RARB 4/4885RARA 2/4885

“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.