SCHEMBL3555799

SCHEMBL3555799

C=Cc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.54
ALDH1A1 P00352 8/20 0.53
MAPT P10636 5/20 0.53
RAB9A P51151 3/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL30050035 1.00 GPR3 (0.54) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL30618063 0.90 KDM4E (0.50) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL3056634 0.89 GPR3 (0.54) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL30913876 0.89 GPR3 (0.54) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL13766548 0.82 GPR3 (0.56) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL10970273 0.81 GPR3 (0.54) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL20712208 0.80 MAPT (0.41) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL15449499 0.80 ALDH1A1 (0.41) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL9970460 0.79 GPR3 (0.52) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL24742469 0.79 KDM4E (0.42) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3392258-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-07-15 EP disclosed
US-9773980-B2 Organic electroluminescent device KABUSHIKI KAISHA TOSHIBA (JP) 2017-09-26 US disclosed
US-9773980-B2 Organic electroluminescent device KABUSHIKI KAISHA TOSHIBA (JP) 2017-09-26 US disclosed
US-9773980-B2 Organic electroluminescent device KABUSHIKI KAISHA TOSHIBA (JP) 2017-09-26 US disclosed
US-20140299853-A1 ORGANIC ELECTROLUMINESCENT DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2014-10-09 US disclosed
US-20140299853-A1 ORGANIC ELECTROLUMINESCENT DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2014-10-09 US disclosed
US-20140299853-A1 ORGANIC ELECTROLUMINESCENT DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2014-10-09 US disclosed
EP-2787054-A1 Organic electroluminescent device Kabushiki Kaisha Toshiba (JP) 2014-10-08 EP disclosed
US-7663301-B2 for use as robust red organic phosphors GENERAL ELECTRIC COMPANY (US) 2010-02-16 US disclosed
WO-2006076247-A2 PHOSPHORESCENT FLUORENE, ANTHRACENE AND/OR THIOPHENE SUBSTITUTED METALLO- PORPHYRINS AND RELATED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-07-20 WO disclosed
US-20060152149-A1 Porphyrin compositions GENERAL ELECTRIC COMPANY (US) 2006-07-13 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 (1 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-20060152149-A1 Porphyrin compositions ACP1, MMS19, MVD GPR3 3994/4885ALDH1A1 1882/4885MAPT 1211/4885

“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.