SCHEMBL8069422

SCHEMBL8069422

CCCCCC1CCC(C2CCC(C(=O)OC)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 2/20 0.48
PKM P14618 1/20 0.48
HTT P42858 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR2 P41597 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DNTT P04053 1/20 0.38

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
SCHEMBL14231921 0.95 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19TP53
SCHEMBL13233364 0.95 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19TP53
SCHEMBL10940617 0.93 TP53 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19TP53
SCHEMBL7212571 0.93 TP53 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19TP53
SCHEMBL7212566 0.93 TP53 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19TP53
SCHEMBL14926350 0.93 TP53 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19TP53
SCHEMBL7556291 0.92 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19TP53
SCHEMBL7556294 0.92 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19TP53
SCHEMBL7556298 0.92 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19TP53
SCHEMBL7556303 0.92 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3621958-B1 PHOTOCHROMIC INDENO FUSED PHENANTHRENOPYRAN COMPOUNDS TRANSITIONS OPTICAL LTD (IE) 2024-07-10 EP disclosed
EP-3268375-B1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL INC (US) 2022-06-15 EP disclosed
EP-3071576-B9 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-12-22 EP disclosed
EP-3071576-B1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-08-18 EP disclosed
US-20200048216-A1 Photochromic Indeno Fused Phenanthrenopyran Compounds TRANSITIONS OPTICAL, LTD. (IE) 2020-02-13 US disclosed
EP-2970760-B1 PHOTOCHROMIC ARTICLES THAT INCLUDE PHOTOCHROMIC-DICHROIC MATERIALS TRANSITIONS OPTICAL INC (US) 2019-06-26 EP disclosed
US-20180051037-A1 Photochromic Thienochromene Compounds TRANSITIONS OPTICAL, INC. 2018-02-22 US disclosed
US-9630902-B2 Method of preparing fused ring indeno compounds TRANSITIONS OPTICAL, INC. (US) 2017-04-25 US disclosed
US-20160209561-A1 Photochromic Articles That Include Photochromic-Dichroic Materials TRANSITIONS OPTICAL, INC. 2016-07-21 US disclosed
US-9334439-B2 Photochromic articles that include photochromic-dichroic materials TRANSITIONS OPTICAL, INC. (US) 2016-05-10 US disclosed
US-8582192-B2 Polarizing photochromic articles TRANSITIONS OPTICAL, INC. (US) 2013-11-12 US disclosed
US-8580142-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed
US-20110279883-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2011-11-17 US disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-16 US disclosed
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 US disclosed
EP-0805134-B1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP (JP) 2000-08-30 EP disclosed
US-6086964-A Liquid crystalline compound having dienyl moiety and liquid crystal composition CHISSO CORPORATION (JP) 2000-07-11 US disclosed
US-6001275-A LIQUID CRYSTALLINE COMPOUND WHICH HAS A LARGE RATIO OF ELASTIC CONSTANTS, HAS A LOW VISCOSITY, EXCELLENT MISCIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, CHEMICALLY STABLE; HAVING AN UNCONJUGATED ALKADIENYL GROUP AT A SIDE CHAIN. CHISSO CORPORATION (JP) 1999-12-14 US disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 EP 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 (4 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-20200048216-A1 Photochromic Indeno Fused Phenanthrenopyran Compounds ALDH1A2, RB1, INCENP CYP1A2 187/4885CYP2D6 39/4885CYP2C9 884/4885
US-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 CYP1A2 70/4885CYP2D6 404/4885CYP2C9 423/4885
US-20180051037-A1 Photochromic Thienochromene Compounds CRY1, CRY2, TERT CYP1A2 62/4885CYP2D6 186/4885CYP2C9 328/4885
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 CYP1A2 3613/4885CYP2D6 3211/4885CYP2C9 3041/4885

“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.