SCHEMBL1963833

SCHEMBL1963833

CC1(C)c2cc(C(F)(F)F)ccc2-c2c1cc(O)c1ccc(Br)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
PDK2 Q15119 1/20 0.33
BACE1 P56817 1/20 0.32
EPM2A O95278 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
TDP2 O95551 1/20 0.32
SLC6A2 P23975 1/20 0.32
P2RY14 Q15391 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32

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
SCHEMBL30104207 1.00 ALDH1A1 (0.34) ALDH1A1KMT2ASMN1; SMN2CCNB2CDK1
SCHEMBL29664007 0.83 CSNK2A2 (0.34) KMT2APDK2ALKPIM1BIRC5
SCHEMBL1962962 0.83 CSNK2A2 (0.34) KMT2APDK2ALKPIM1BIRC5
SCHEMBL30658606 0.83 TDP2 (0.31) KMT2ATDP2TMPRSS4
SCHEMBL9933671 0.83 TDP2 (0.31) KMT2ATDP2TMPRSS4
SCHEMBL10323482 0.83 SLC6A2 (0.35) KMT2ATDP2SLC6A2P2RY14IL1B
SCHEMBL1815597 0.80 KCNH2 (0.36) KMT2ACCNB2CDK1CCNB1GSK3B
SCHEMBL23572603 0.80 PPM1A (0.37) ALDH1A1KMT2AALK
SCHEMBL30104206 0.80 PPM1A (0.37) ALDH1A1KMT2AALK
SCHEMBL23572608 0.79 MAPT (0.36) ALDH1A1KMT2ASMN1; SMN2PDK2TDP2

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-11518751-B2 Photochromic indeno-fused naphthopyran compounds with reduced temperature dependence TRANSITIONS OPTICAL, LTD. (IE) 2022-12-06 US disclosed
EP-3802508-B1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRAN COMPOUNDS WITH REDUCED TEMPERATURE DEPENDENCE TRANSITIONS OPTICAL LTD (IE) 2022-10-19 EP disclosed
US-20210198226-A1 Photochromic Indeno-Fused Naphthopyran Compounds With Reduced Temperature Dependence TRANSITIONS OPTICAL, LTD. (IE) 2021-07-01 US disclosed
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
EP-2652553-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (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 (3 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-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 ALDH1A1 43/4885KMT2A 563/4885SMN1; SMN2 3964/4885
US-20210198226-A1 Photochromic Indeno-Fused Naphthopyran Compounds With Reduced Temperature Dependence NR2E3, NR0B2, NR2C2 ALDH1A1 1149/4885KMT2A 1967/4885SMN1; SMN2 1569/4885
US-11518751-B2 Photochromic indeno-fused naphthopyran compounds with reduced temperature dependence NR2E3, NR0B2, NR2C2 ALDH1A1 1149/4885KMT2A 1967/4885SMN1; SMN2 1569/4885

“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.