SCHEMBL10296012

SCHEMBL10296012

c1cncc(-c2cccc3ccccc23)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.66
ALDH1A1 P00352 3/20 0.65
KDM4E B2RXH2 2/20 0.65
MAPT P10636 2/20 0.65
HPGD P15428 2/20 0.65
RAB9A P51151 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TNF P01375 1/20 0.62
CYP11B2 P19099 7/20 0.54
CYP3A4 P08684 3/20 0.52
CYP2A6 P11509 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP17A1 P05093 3/20 0.50
DHPS P49366 1/20 0.50
CYP19A1 P11511 1/20 0.50
BCHE P06276 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL14461186 0.96 CYP11B1 (0.62) CYP11B1ALDH1A1KDM4EMAPTHPGD
SCHEMBL26259989 0.90 CYP2A6 (0.64) CYP11B1ALDH1A1KDM4EMAPTHPGD
SCHEMBL28426540 0.88 ALDH1A1 (0.57) CYP11B1ALDH1A1KDM4EMAPTHPGD
SCHEMBL15835309 0.87 KDM4E (0.56) CYP11B1ALDH1A1KDM4EMAPTHPGD
SCHEMBL15835315 0.87 TNF (0.77) CYP11B1ALDH1A1KDM4EMAPTHPGD
SCHEMBL26305535 0.87 TNF (0.57) CYP11B1ALDH1A1KDM4EMAPTHPGD
SCHEMBL14461162 0.86 ALDH1A1 (0.58) CYP11B1ALDH1A1KDM4EMAPTHPGD
SCHEMBL13907276 0.86 CYP11B1 (0.66) CYP11B1ALDH1A1KDM4EMAPTHPGD
SCHEMBL21127711 0.84 CYP11B1 (0.60) CYP11B1ALDH1A1KDM4EMAPTHPGD
SCHEMBL11931240 0.84 CYP11B1 (0.60) CYP11B1ALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11877506-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2024-01-16 US disclosed
US-11877506-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2024-01-16 US disclosed
US-20230363260-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-09 US disclosed
US-11794180-B2 Tri-(adamantyl)phosphines and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2023-10-24 US disclosed
US-11794180-B2 Tri-(adamantyl)phosphines and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2023-10-24 US disclosed
US-11800785-B2 Material for organic device and organic electroluminescent device using the same KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-10-24 US disclosed
US-11800785-B2 Material for organic device and organic electroluminescent device using the same KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-10-24 US disclosed
US-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-09-14 US disclosed
US-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-09-14 US disclosed
US-20230276708-A1 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-08-31 US disclosed
WO-2015005440-A1 MATERIAL FOR LIGHT-EMITTING AUXILIARY LAYER COMPRISING RING-FUSED FLUORENE COMPOUND OR FLUORENE COMPOUND JNC株式会社 (JP) 2015-01-15 WO disclosed
CN-102977007-B Method for synthesizing 3-aryl pyridine derivative UNIV HUNAN 2014-11-05 CN disclosed
CN-102977007-A Method for synthesizing 3-aryl pyridine derivative UNIV HUNAN 2013-03-20 CN disclosed
CN-102532034-A Benzophenanthrene compound containing benzoglioxaline group and application thereof UNIV TSINGHUA 2012-07-04 CN disclosed
CN-102532105-A Triphenylene compound containing pyridine group and application thereof UNIV TSINGHUA 2012-07-04 CN disclosed
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 US disclosed
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 US disclosed
CN-102442938-A Fluorenyl-fluorene compound and application thereof UNIV TSINGHUA 2012-05-09 CN disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 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 (6 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-11794180-B2 Tri-(adamantyl)phosphines and applications thereof PADI3, ADA, ENTPD3 CYP11B1 3458/4885ALDH1A1 1780/4885KDM4E 1696/4885
US-11877506-B2 Polycyclic aromatic compound F11, C1R, RNF31 CYP11B1 57/4885ALDH1A1 2814/4885KDM4E 4253/4885
US-20230276708-A1 Polycyclic aromatic compound ACVR1B, XDH, AHR CYP11B1 525/4885ALDH1A1 2290/4885KDM4E 583/4885
US-20090326243-A1 Ligands for transition-metals and methods of use PDK4, PDXK, PDK3 CYP11B1 1188/4885ALDH1A1 1267/4885KDM4E 1317/4885
US-11800785-B2 Material for organic device and organic electroluminescent device using the same RER1, LEF1, CHRM1 CYP11B1 1630/4885ALDH1A1 913/4885KDM4E 1554/4885
US-20230287262-A1 PHOTON UPCONVERSION COMPOSITION, FILM, METHOD FOR CONVERTING VISIBLE LIGHT INTO ULTRAVIOLET LIGHT, AND COMPOUND NUDC, CCNL2, SPIN3 CYP11B1 3382/4885ALDH1A1 2125/4885KDM4E 1663/4885

“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.