SCHEMBL8917677

SCHEMBL8917677

Cc1cc(C)c(C)c(I)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 6/20 0.39
ACHE P22303 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
GRIN2D O15399 1/20 0.30

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
SCHEMBL18388076 0.84 ACHE (0.40) RAPGEF4ACHEALDH1A1TSHR
SCHEMBL1551822 0.77 RAPGEF4 (0.59) RAPGEF4ACHEALDH1A1KDM4ELMNA
SCHEMBL28951 0.77 RAPGEF4 (0.59) RAPGEF4ACHEALDH1A1KDM4ELMNA
SCHEMBL10068236 0.77 TTR (0.48)
SCHEMBL3007305 0.77 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL20620383 0.74 ALDH1A1 (0.39) ALDH1A1CYP1A2TSHRTP53TDP1
SCHEMBL815630 0.74 ALDH1A1 (0.54) RAPGEF4ACHEALDH1A1KDM4ELMNA
SCHEMBL19156967 0.74 RAPGEF4 (0.38) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL26393773 0.74 ACHE (0.33) ACHEALDH1A1TSHR
SCHEMBL28482658 0.74 RAPGEF4 (0.56) RAPGEF4ACHEALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131540-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT AND COMPOUND DIC CORPORATION (JP) 2023-04-27 US disclosed
WO-2021135517-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
WO-2021079743-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND HIGH-FREQUENCY PHASE SHIFTER DIC株式会社 2021-04-29 WO disclosed
EP-3789379-A1 4-PHENYLBENZO[G]QUINAZOLINE OR 4-(3,5-DIMETHYLPHENYLBENZO[G]QUINAZOLINE IRIDIUM COMPLEXES FOR USE AS NEAR-INFRARED OR INFRARED EMITTING MATERIALS IN OLEDS Universal Display Corporation (US) 2021-03-10 EP disclosed
US-10927263-B2 Polymerizable composition and optically anisotropic body produced using the same DIC CORPORATION (JP) 2021-02-23 US disclosed
EP-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 EP disclosed
EP-3539650-A1 METHODS OF PRODUCING COMPOSITE ZEOLITE CATALYSTS FOR HEAVY REFORMATE CONVERSION INTO XYLENES Saudi Arabian Oil Company (SA) 2019-09-18 EP disclosed
US-20190264034-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY PRODUCED USING THE SAME DIC CORPORATION (JP) 2019-08-29 US disclosed
WO-2019016269-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2019-01-24 WO disclosed
US-9994559-B2 Bicycloheteroaryl-heteroaryl-benzoic acid compounds as retinoic acid receptor beta (RARβ) agonists KING'S COLLEGE LONDON (GB) 2018-06-12 US disclosed
EP-3321258-A1 4-PHENYLBENZO[G]QUINAZOLINE OR 4-(3,5-DIMETHYLPHENYLBENZO[G]QUINAZOLINE IRIDIUM COMPLEXES FOR USE AS NEAR-INFRARED OR INFRARED EMITTING MATERIALS IN OLEDS Universal Display Corporation (US) 2018-05-16 EP disclosed
US-20170327489-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists KING'S COLLEGE LONDON (GB) 2017-11-16 US disclosed
EP-3239134-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2017-11-01 EP disclosed
EP-3168207-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2017-05-17 EP disclosed
EP-3162875-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2017-05-03 EP disclosed
EP-2321862-B1 ORGANIC SEMICONDUCTOR MATERIAL AND LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, LIGHTING SYSTEM, AND ELECTRONIC DEVICE USING THE SAME SEMICONDUCTOR ENERGY LAB (JP) 2014-11-19 EP disclosed
EP-1963398-B1 EQUIPMENT CLEANING IN THE MANUFACTURE OF POLYCARBONATES SABIC INNOVATIVE PLASTICS IP (NL) 2011-03-30 EP disclosed
US-5616441-A AS ELECTRON TRANSFERRING COMPOUND; INCREASED PHOTOSENSITIVITY; WEAR AND HEAT RESISTANCE; SOLVENT SOLUBILITY; BINDER COMPATABILITY; COPIERS; LASER PRINTERS MITA INDUSTRIAL CO., LTD. (JP) 1997-04-01 US disclosed
EP-0708375-A1 Tryptanthrine derivative and electrophotosensitive material MITA INDUSTRIAL CO., LTD. (JP) 1996-04-24 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 (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-10927263-B2 Polymerizable composition and optically anisotropic body produced using the same CRYAA, IK, LCP1 RAPGEF4 1318/4885ACHE 3015/4885ALDH1A1 2351/4885
US-20170327489-A1 Bicycloheteroaryl-Heteroaryl-Benzoic Acid Compounds as Retinoic Acid Receptor Beta (RARBeta) Agonists RARB, RARA, RXRB RAPGEF4 383/4885ACHE 1697/4885ALDH1A1 253/4885
US-20190264034-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY PRODUCED USING THE SAME CRYAA, IK, LCP1 RAPGEF4 1318/4885ACHE 3015/4885ALDH1A1 2351/4885

“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.